3-acetamido-3-(4-methylphenyl)-N-[[6-(1,2,4-triazol-1-yl)pyridin-3-yl]methyl]propanamide

Systemtic Name: 3-acetamido-3-(4-methylphenyl)-N-[[6-(1,2,4-triazol-1-yl)pyridin-3-yl]methyl]propanamide Openeye Name: 3-acetamido-3-(p-tolyl)-N-[[6-(1,2,4-triazol-1-yl)-3-pyridyl]methyl]propanamide CAS Name: 3-acetamido-3-(4-methylphenyl)-N-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]propanamide IUPAC Name: 3-acetamido-3-(4-methylphenyl)-N-[[6-(1,2,4-triazol-1-yl)pyridin-3-yl]methyl]propanamide Traditional Name: 3-acetamido-3-(p-tolyl)-N-[[6-(1,2,4-triazol-1-yl)-3-pyridyl]methyl]propionamide Formula: C20H22N6O2 MolecularWeight: 378.42768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC(=O)NCC2=CN=C(C=C2)N3C=NC=N3)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C(CC(=O)NCC2=CN=C(C=C2)N3C=NC=N3)NC(=O)C

InChI

InChI=1S/C20H22N6O2/c1-14-3-6-17(7-4-14)18(25-15(2)27)9-20(28)23-11-16-5-8-19(22-10-16)26-13-21-12-24-26/h3-8,10,12-13,18H,9,11H2,1-2H3,(H,23,28)(H,25,27)